USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 SER OG : rot 180:sc= -0.662 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -98:sc= 0.851 USER MOD Single : A 50 MET CE :methyl -115:sc= -0.503 (180deg=-2.08!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.094) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.129 (180deg=-0.634) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 0.856 0.243 -0.544 1.00 1.00 N ATOM 2 CA GLY A 39 -0.520 0.187 -1.002 1.00 1.00 C ATOM 3 C GLY A 39 -0.812 -1.063 -1.808 1.00 1.00 C ATOM 4 O GLY A 39 -0.572 -2.178 -1.346 1.00 1.00 O ATOM 0 HA2 GLY A 39 -1.188 0.225 -0.142 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -0.733 1.066 -1.610 1.00 1.00 H new ATOM 8 N SER A 40 -1.333 -0.877 -3.017 1.00 1.00 N ATOM 9 CA SER A 40 -1.663 -1.999 -3.888 1.00 1.00 C ATOM 10 C SER A 40 -1.365 -1.662 -5.346 1.00 1.00 C ATOM 11 O SER A 40 -1.748 -0.600 -5.839 1.00 1.00 O ATOM 12 CB SER A 40 -3.137 -2.377 -3.732 1.00 1.00 C ATOM 13 OG SER A 40 -3.982 -1.312 -4.132 1.00 1.00 O ATOM 0 H SER A 40 -1.536 0.040 -3.415 1.00 1.00 H new ATOM 0 HA SER A 40 -1.044 -2.847 -3.595 1.00 1.00 H new ATOM 0 HB2 SER A 40 -3.354 -3.262 -4.330 1.00 1.00 H new ATOM 0 HB3 SER A 40 -3.341 -2.637 -2.693 1.00 1.00 H new ATOM 0 HG SER A 40 -4.919 -1.579 -4.024 1.00 1.00 H new ATOM 19 N CYS A 41 -0.679 -2.572 -6.028 1.00 1.00 N ATOM 20 CA CYS A 41 -0.325 -2.370 -7.429 1.00 1.00 C ATOM 21 C CYS A 41 -1.358 -3.015 -8.348 1.00 1.00 C ATOM 22 O CYS A 41 -1.926 -4.059 -8.026 1.00 1.00 O ATOM 23 CB CYS A 41 1.061 -2.948 -7.715 1.00 1.00 C ATOM 24 SG CYS A 41 1.883 -2.220 -9.152 1.00 1.00 S ATOM 0 H CYS A 41 -0.357 -3.456 -5.635 1.00 1.00 H new ATOM 0 HA CYS A 41 -0.310 -1.298 -7.624 1.00 1.00 H new ATOM 0 HB2 CYS A 41 1.691 -2.803 -6.838 1.00 1.00 H new ATOM 0 HB3 CYS A 41 0.970 -4.023 -7.868 1.00 1.00 H new ATOM 0 HG CYS A 41 3.049 -2.772 -9.311 1.00 1.00 H new ATOM 30 N LYS A 42 -1.598 -2.386 -9.493 1.00 1.00 N ATOM 31 CA LYS A 42 -2.562 -2.897 -10.461 1.00 1.00 C ATOM 32 C LYS A 42 -2.576 -2.038 -11.721 1.00 1.00 C ATOM 33 O LYS A 42 -2.429 -0.817 -11.652 1.00 1.00 O ATOM 34 CB LYS A 42 -3.961 -2.940 -9.843 1.00 1.00 C ATOM 35 CG LYS A 42 -4.436 -1.596 -9.319 1.00 1.00 C ATOM 36 CD LYS A 42 -4.004 -1.374 -7.880 1.00 1.00 C ATOM 37 CE LYS A 42 -4.917 -0.387 -7.169 1.00 1.00 C ATOM 38 NZ LYS A 42 -4.779 0.991 -7.718 1.00 1.00 N ATOM 0 H LYS A 42 -1.138 -1.520 -9.774 1.00 1.00 H new ATOM 0 HA LYS A 42 -2.262 -3.908 -10.737 1.00 1.00 H new ATOM 0 HB2 LYS A 42 -4.668 -3.300 -10.590 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -3.966 -3.661 -9.026 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -4.038 -0.799 -9.946 1.00 1.00 H new ATOM 0 HG3 LYS A 42 -5.523 -1.542 -9.386 1.00 1.00 H new ATOM 0 HD2 LYS A 42 -4.009 -2.325 -7.347 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -2.979 -1.003 -7.860 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -5.952 -0.715 -7.266 1.00 1.00 H new ATOM 0 HE3 LYS A 42 -4.684 -0.379 -6.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 -5.417 1.634 -7.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 -3.797 1.314 -7.602 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -5.026 0.989 -8.728 1.00 1.00 H new ATOM 52 N ILE A 43 -2.756 -2.682 -12.869 1.00 1.00 N ATOM 53 CA ILE A 43 -2.793 -1.975 -14.143 1.00 1.00 C ATOM 54 C ILE A 43 -3.856 -0.882 -14.136 1.00 1.00 C ATOM 55 O ILE A 43 -4.992 -1.090 -13.708 1.00 1.00 O ATOM 56 CB ILE A 43 -3.070 -2.937 -15.313 1.00 1.00 C ATOM 57 CG1 ILE A 43 -2.015 -4.045 -15.351 1.00 1.00 C ATOM 58 CG2 ILE A 43 -3.095 -2.177 -16.630 1.00 1.00 C ATOM 59 CD1 ILE A 43 -0.616 -3.538 -15.624 1.00 1.00 C ATOM 0 H ILE A 43 -2.878 -3.692 -12.943 1.00 1.00 H new ATOM 0 HA ILE A 43 -1.811 -1.522 -14.280 1.00 1.00 H new ATOM 0 HB ILE A 43 -4.047 -3.396 -15.163 1.00 1.00 H new ATOM 0 HG12 ILE A 43 -2.021 -4.575 -14.398 1.00 1.00 H new ATOM 0 HG13 ILE A 43 -2.287 -4.768 -16.120 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -3.292 -2.871 -17.447 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -3.880 -1.421 -16.599 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -2.131 -1.693 -16.789 1.00 1.00 H new ATOM 0 HD11 ILE A 43 0.079 -4.377 -15.637 1.00 1.00 H new ATOM 0 HD12 ILE A 43 -0.594 -3.034 -16.590 1.00 1.00 H new ATOM 0 HD13 ILE A 43 -0.324 -2.837 -14.842 1.00 1.00 H new ATOM 71 N PRO A 44 -3.483 0.310 -14.622 1.00 1.00 N ATOM 72 CA PRO A 44 -4.391 1.459 -14.685 1.00 1.00 C ATOM 73 C PRO A 44 -5.493 1.272 -15.722 1.00 1.00 C ATOM 74 O PRO A 44 -5.680 0.176 -16.251 1.00 1.00 O ATOM 75 CB PRO A 44 -3.472 2.617 -15.085 1.00 1.00 C ATOM 76 CG PRO A 44 -2.339 1.969 -15.803 1.00 1.00 C ATOM 77 CD PRO A 44 -2.145 0.629 -15.150 1.00 1.00 C ATOM 0 HA PRO A 44 -4.913 1.617 -13.741 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.990 3.331 -15.725 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.124 3.167 -14.211 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.563 1.857 -16.864 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.435 2.573 -15.730 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -1.806 -0.121 -15.865 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -1.400 0.673 -14.356 1.00 1.00 H new ATOM 85 N SER A 45 -6.220 2.347 -16.008 1.00 1.00 N ATOM 86 CA SER A 45 -7.306 2.300 -16.979 1.00 1.00 C ATOM 87 C SER A 45 -6.958 3.110 -18.224 1.00 1.00 C ATOM 88 O SER A 45 -7.331 2.746 -19.340 1.00 1.00 O ATOM 89 CB SER A 45 -8.599 2.830 -16.357 1.00 1.00 C ATOM 90 OG SER A 45 -8.424 4.147 -15.863 1.00 1.00 O ATOM 0 H SER A 45 -6.076 3.262 -15.581 1.00 1.00 H new ATOM 0 HA SER A 45 -7.452 1.260 -17.272 1.00 1.00 H new ATOM 0 HB2 SER A 45 -9.395 2.820 -17.101 1.00 1.00 H new ATOM 0 HB3 SER A 45 -8.913 2.173 -15.546 1.00 1.00 H new ATOM 0 HG SER A 45 -9.265 4.464 -15.472 1.00 1.00 H new ATOM 96 N ILE A 46 -6.241 4.211 -18.024 1.00 1.00 N ATOM 97 CA ILE A 46 -5.842 5.073 -19.129 1.00 1.00 C ATOM 98 C ILE A 46 -4.811 4.386 -20.019 1.00 1.00 C ATOM 99 O ILE A 46 -4.523 4.847 -21.123 1.00 1.00 O ATOM 100 CB ILE A 46 -5.259 6.406 -18.622 1.00 1.00 C ATOM 101 CG1 ILE A 46 -6.284 7.137 -17.752 1.00 1.00 C ATOM 102 CG2 ILE A 46 -4.832 7.277 -19.793 1.00 1.00 C ATOM 103 CD1 ILE A 46 -5.726 8.363 -17.063 1.00 1.00 C ATOM 0 H ILE A 46 -5.925 4.527 -17.107 1.00 1.00 H new ATOM 0 HA ILE A 46 -6.742 5.277 -19.710 1.00 1.00 H new ATOM 0 HB ILE A 46 -4.380 6.194 -18.014 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -7.130 7.432 -18.372 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -6.666 6.449 -16.998 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -4.422 8.215 -19.418 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -4.072 6.756 -20.376 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -5.695 7.485 -20.425 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -6.507 8.831 -16.464 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -4.898 8.072 -16.416 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -5.370 9.071 -17.812 1.00 1.00 H new ATOM 115 N ALA A 47 -4.261 3.280 -19.530 1.00 1.00 N ATOM 116 CA ALA A 47 -3.265 2.526 -20.282 1.00 1.00 C ATOM 117 C ALA A 47 -3.887 1.302 -20.944 1.00 1.00 C ATOM 118 O ALA A 47 -3.271 0.663 -21.797 1.00 1.00 O ATOM 119 CB ALA A 47 -2.119 2.111 -19.371 1.00 1.00 C ATOM 0 H ALA A 47 -4.488 2.886 -18.617 1.00 1.00 H new ATOM 0 HA ALA A 47 -2.874 3.172 -21.068 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -1.383 1.549 -19.946 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -1.649 3.000 -18.950 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -2.503 1.487 -18.564 1.00 1.00 H new ATOM 125 N THR A 48 -5.113 0.978 -20.545 1.00 1.00 N ATOM 126 CA THR A 48 -5.819 -0.171 -21.097 1.00 1.00 C ATOM 127 C THR A 48 -6.060 -0.001 -22.593 1.00 1.00 C ATOM 128 O THR A 48 -5.661 -0.844 -23.396 1.00 1.00 O ATOM 129 CB THR A 48 -7.171 -0.393 -20.393 1.00 1.00 C ATOM 130 OG1 THR A 48 -8.020 0.742 -20.595 1.00 1.00 O ATOM 131 CG2 THR A 48 -6.973 -0.625 -18.903 1.00 1.00 C ATOM 0 H THR A 48 -5.638 1.496 -19.841 1.00 1.00 H new ATOM 0 HA THR A 48 -5.184 -1.041 -20.930 1.00 1.00 H new ATOM 0 HB THR A 48 -7.639 -1.278 -20.824 1.00 1.00 H new ATOM 0 HG1 THR A 48 -7.971 1.331 -19.813 1.00 1.00 H new ATOM 0 HG21 THR A 48 -7.941 -0.779 -18.427 1.00 1.00 H new ATOM 0 HG22 THR A 48 -6.350 -1.506 -18.752 1.00 1.00 H new ATOM 0 HG23 THR A 48 -6.486 0.244 -18.461 1.00 1.00 H new ATOM 139 N GLY A 49 -6.715 1.096 -22.961 1.00 1.00 N ATOM 140 CA GLY A 49 -6.997 1.356 -24.361 1.00 1.00 C ATOM 141 C GLY A 49 -5.772 1.196 -25.239 1.00 1.00 C ATOM 142 O GLY A 49 -5.850 0.625 -26.326 1.00 1.00 O ATOM 0 H GLY A 49 -7.055 1.809 -22.315 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -7.777 0.676 -24.704 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -7.387 2.368 -24.468 1.00 1.00 H new ATOM 146 N MET A 50 -4.637 1.703 -24.767 1.00 1.00 N ATOM 147 CA MET A 50 -3.390 1.614 -25.518 1.00 1.00 C ATOM 148 C MET A 50 -2.985 0.158 -25.729 1.00 1.00 C ATOM 149 O MET A 50 -2.617 -0.241 -26.834 1.00 1.00 O ATOM 150 CB MET A 50 -2.276 2.365 -24.788 1.00 1.00 C ATOM 151 CG MET A 50 -2.317 3.870 -25.000 1.00 1.00 C ATOM 152 SD MET A 50 -1.669 4.364 -26.608 1.00 1.00 S ATOM 153 CE MET A 50 -3.182 4.498 -27.556 1.00 1.00 C ATOM 0 H MET A 50 -4.556 2.179 -23.869 1.00 1.00 H new ATOM 0 HA MET A 50 -3.549 2.073 -26.494 1.00 1.00 H new ATOM 0 HB2 MET A 50 -2.346 2.155 -23.721 1.00 1.00 H new ATOM 0 HB3 MET A 50 -1.312 1.985 -25.125 1.00 1.00 H new ATOM 0 HG2 MET A 50 -3.345 4.218 -24.905 1.00 1.00 H new ATOM 0 HG3 MET A 50 -1.741 4.359 -24.215 1.00 1.00 H new ATOM 0 HE1 MET A 50 -3.186 3.745 -28.344 1.00 1.00 H new ATOM 0 HE2 MET A 50 -4.038 4.341 -26.900 1.00 1.00 H new ATOM 0 HE3 MET A 50 -3.245 5.490 -28.002 1.00 1.00 H new ATOM 163 N VAL A 51 -3.055 -0.631 -24.661 1.00 1.00 N ATOM 164 CA VAL A 51 -2.696 -2.043 -24.729 1.00 1.00 C ATOM 165 C VAL A 51 -3.520 -2.769 -25.787 1.00 1.00 C ATOM 166 O VAL A 51 -2.973 -3.360 -26.717 1.00 1.00 O ATOM 167 CB VAL A 51 -2.895 -2.739 -23.370 1.00 1.00 C ATOM 168 CG1 VAL A 51 -2.378 -4.168 -23.421 1.00 1.00 C ATOM 169 CG2 VAL A 51 -2.208 -1.954 -22.263 1.00 1.00 C ATOM 0 H VAL A 51 -3.357 -0.316 -23.739 1.00 1.00 H new ATOM 0 HA VAL A 51 -1.641 -2.089 -25.000 1.00 1.00 H new ATOM 0 HB VAL A 51 -3.962 -2.772 -23.152 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -2.527 -4.644 -22.452 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -2.921 -4.724 -24.185 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -1.315 -4.162 -23.662 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.359 -2.461 -21.310 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.141 -1.887 -22.473 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -2.631 -0.951 -22.212 1.00 1.00 H new ATOM 179 N GLY A 52 -4.840 -2.720 -25.637 1.00 1.00 N ATOM 180 CA GLY A 52 -5.719 -3.378 -26.586 1.00 1.00 C ATOM 181 C GLY A 52 -5.390 -3.025 -28.022 1.00 1.00 C ATOM 182 O GLY A 52 -5.368 -3.895 -28.893 1.00 1.00 O ATOM 0 H GLY A 52 -5.316 -2.237 -24.876 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -5.647 -4.458 -26.455 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -6.751 -3.099 -26.374 1.00 1.00 H new ATOM 186 N ALA A 53 -5.134 -1.745 -28.272 1.00 1.00 N ATOM 187 CA ALA A 53 -4.804 -1.279 -29.613 1.00 1.00 C ATOM 188 C ALA A 53 -3.405 -1.727 -30.021 1.00 1.00 C ATOM 189 O ALA A 53 -3.150 -2.013 -31.192 1.00 1.00 O ATOM 190 CB ALA A 53 -4.918 0.236 -29.688 1.00 1.00 C ATOM 0 H ALA A 53 -5.149 -1.012 -27.563 1.00 1.00 H new ATOM 0 HA ALA A 53 -5.516 -1.721 -30.310 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -4.669 0.570 -30.695 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -5.938 0.536 -29.448 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -4.229 0.688 -28.975 1.00 1.00 H new ATOM 196 N LEU A 54 -2.501 -1.786 -29.050 1.00 1.00 N ATOM 197 CA LEU A 54 -1.126 -2.200 -29.308 1.00 1.00 C ATOM 198 C LEU A 54 -1.081 -3.607 -29.895 1.00 1.00 C ATOM 199 O LEU A 54 -0.414 -3.851 -30.901 1.00 1.00 O ATOM 200 CB LEU A 54 -0.305 -2.146 -28.019 1.00 1.00 C ATOM 201 CG LEU A 54 0.396 -0.820 -27.724 1.00 1.00 C ATOM 202 CD1 LEU A 54 1.048 -0.855 -26.350 1.00 1.00 C ATOM 203 CD2 LEU A 54 1.428 -0.512 -28.798 1.00 1.00 C ATOM 0 H LEU A 54 -2.695 -1.552 -28.076 1.00 1.00 H new ATOM 0 HA LEU A 54 -0.696 -1.510 -30.034 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -0.964 -2.380 -27.183 1.00 1.00 H new ATOM 0 HB3 LEU A 54 0.450 -2.932 -28.060 1.00 1.00 H new ATOM 0 HG LEU A 54 -0.352 -0.027 -27.729 1.00 1.00 H new ATOM 0 HD11 LEU A 54 1.542 0.097 -26.157 1.00 1.00 H new ATOM 0 HD12 LEU A 54 0.286 -1.029 -25.590 1.00 1.00 H new ATOM 0 HD13 LEU A 54 1.784 -1.659 -26.317 1.00 1.00 H new ATOM 0 HD21 LEU A 54 1.917 0.435 -28.572 1.00 1.00 H new ATOM 0 HD22 LEU A 54 2.173 -1.307 -28.826 1.00 1.00 H new ATOM 0 HD23 LEU A 54 0.935 -0.443 -29.768 1.00 1.00 H new ATOM 215 N LEU A 55 -1.797 -4.529 -29.261 1.00 1.00 N ATOM 216 CA LEU A 55 -1.843 -5.913 -29.722 1.00 1.00 C ATOM 217 C LEU A 55 -2.576 -6.019 -31.055 1.00 1.00 C ATOM 218 O LEU A 55 -2.090 -6.651 -31.995 1.00 1.00 O ATOM 219 CB LEU A 55 -2.528 -6.796 -28.678 1.00 1.00 C ATOM 220 CG LEU A 55 -2.208 -6.480 -27.217 1.00 1.00 C ATOM 221 CD1 LEU A 55 -2.690 -7.601 -26.310 1.00 1.00 C ATOM 222 CD2 LEU A 55 -0.715 -6.249 -27.035 1.00 1.00 C ATOM 0 H LEU A 55 -2.354 -4.344 -28.427 1.00 1.00 H new ATOM 0 HA LEU A 55 -0.819 -6.257 -29.864 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -3.606 -6.719 -28.818 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -2.255 -7.833 -28.873 1.00 1.00 H new ATOM 0 HG LEU A 55 -2.733 -5.566 -26.940 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -2.453 -7.358 -25.274 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -3.768 -7.718 -26.418 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -2.194 -8.532 -26.587 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -0.506 -6.025 -25.989 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -0.169 -7.145 -27.330 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -0.398 -5.411 -27.655 1.00 1.00 H new ATOM 234 N LEU A 56 -3.747 -5.396 -31.132 1.00 1.00 N ATOM 235 CA LEU A 56 -4.547 -5.418 -32.351 1.00 1.00 C ATOM 236 C LEU A 56 -3.710 -5.011 -33.559 1.00 1.00 C ATOM 237 O LEU A 56 -3.568 -5.775 -34.516 1.00 1.00 O ATOM 238 CB LEU A 56 -5.750 -4.484 -32.212 1.00 1.00 C ATOM 239 CG LEU A 56 -7.006 -4.887 -32.985 1.00 1.00 C ATOM 240 CD1 LEU A 56 -7.850 -5.852 -32.167 1.00 1.00 C ATOM 241 CD2 LEU A 56 -7.817 -3.657 -33.366 1.00 1.00 C ATOM 0 H LEU A 56 -4.163 -4.869 -30.364 1.00 1.00 H new ATOM 0 HA LEU A 56 -4.902 -6.437 -32.505 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -6.006 -4.410 -31.155 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -5.451 -3.488 -32.538 1.00 1.00 H new ATOM 0 HG LEU A 56 -6.698 -5.392 -33.901 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -8.740 -6.128 -32.733 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -7.268 -6.747 -31.947 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -8.148 -5.374 -31.234 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -8.707 -3.964 -33.915 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -8.114 -3.123 -32.463 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -7.212 -3.002 -33.993 1.00 1.00 H new ATOM 253 N LEU A 57 -3.155 -3.805 -33.509 1.00 1.00 N ATOM 254 CA LEU A 57 -2.330 -3.297 -34.599 1.00 1.00 C ATOM 255 C LEU A 57 -1.193 -4.262 -34.918 1.00 1.00 C ATOM 256 O LEU A 57 -0.913 -4.544 -36.084 1.00 1.00 O ATOM 257 CB LEU A 57 -1.762 -1.923 -34.237 1.00 1.00 C ATOM 258 CG LEU A 57 -2.782 -0.796 -34.077 1.00 1.00 C ATOM 259 CD1 LEU A 57 -2.079 0.525 -33.805 1.00 1.00 C ATOM 260 CD2 LEU A 57 -3.658 -0.690 -35.317 1.00 1.00 C ATOM 0 H LEU A 57 -3.261 -3.161 -32.725 1.00 1.00 H new ATOM 0 HA LEU A 57 -2.959 -3.202 -35.484 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -1.205 -2.017 -33.305 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -1.048 -1.633 -35.008 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.420 -1.027 -33.224 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -2.821 1.316 -33.694 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -1.495 0.444 -32.888 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -1.417 0.763 -34.638 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.378 0.117 -35.186 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -3.034 -0.482 -36.186 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -4.190 -1.629 -35.468 1.00 1.00 H new ATOM 272 N LEU A 58 -0.544 -4.768 -33.876 1.00 1.00 N ATOM 273 CA LEU A 58 0.562 -5.704 -34.044 1.00 1.00 C ATOM 274 C LEU A 58 0.139 -6.900 -34.891 1.00 1.00 C ATOM 275 O LEU A 58 0.808 -7.256 -35.861 1.00 1.00 O ATOM 276 CB LEU A 58 1.064 -6.182 -32.680 1.00 1.00 C ATOM 277 CG LEU A 58 2.176 -5.348 -32.045 1.00 1.00 C ATOM 278 CD1 LEU A 58 2.530 -5.890 -30.668 1.00 1.00 C ATOM 279 CD2 LEU A 58 3.405 -5.325 -32.942 1.00 1.00 C ATOM 0 H LEU A 58 -0.764 -4.546 -32.905 1.00 1.00 H new ATOM 0 HA LEU A 58 1.370 -5.185 -34.559 1.00 1.00 H new ATOM 0 HB2 LEU A 58 0.219 -6.207 -31.993 1.00 1.00 H new ATOM 0 HB3 LEU A 58 1.420 -7.207 -32.785 1.00 1.00 H new ATOM 0 HG LEU A 58 1.816 -4.326 -31.930 1.00 1.00 H new ATOM 0 HD11 LEU A 58 3.324 -5.284 -30.231 1.00 1.00 H new ATOM 0 HD12 LEU A 58 1.650 -5.854 -30.026 1.00 1.00 H new ATOM 0 HD13 LEU A 58 2.870 -6.922 -30.759 1.00 1.00 H new ATOM 0 HD21 LEU A 58 4.186 -4.726 -32.473 1.00 1.00 H new ATOM 0 HD22 LEU A 58 3.767 -6.343 -33.090 1.00 1.00 H new ATOM 0 HD23 LEU A 58 3.143 -4.889 -33.906 1.00 1.00 H new ATOM 291 N VAL A 59 -0.979 -7.517 -34.518 1.00 1.00 N ATOM 292 CA VAL A 59 -1.495 -8.670 -35.246 1.00 1.00 C ATOM 293 C VAL A 59 -1.938 -8.279 -36.651 1.00 1.00 C ATOM 294 O VAL A 59 -1.596 -8.945 -37.629 1.00 1.00 O ATOM 295 CB VAL A 59 -2.682 -9.315 -34.506 1.00 1.00 C ATOM 296 CG1 VAL A 59 -3.077 -10.625 -35.170 1.00 1.00 C ATOM 297 CG2 VAL A 59 -2.341 -9.532 -33.040 1.00 1.00 C ATOM 0 H VAL A 59 -1.544 -7.237 -33.716 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.682 -9.393 -35.313 1.00 1.00 H new ATOM 0 HB VAL A 59 -3.534 -8.637 -34.560 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -3.917 -11.066 -34.633 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -3.366 -10.436 -36.204 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -2.232 -11.313 -35.149 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -3.191 -9.988 -32.532 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -1.475 -10.190 -32.961 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -2.112 -8.574 -32.574 1.00 1.00 H new ATOM 307 N VAL A 60 -2.701 -7.195 -36.746 1.00 1.00 N ATOM 308 CA VAL A 60 -3.190 -6.713 -38.032 1.00 1.00 C ATOM 309 C VAL A 60 -2.041 -6.504 -39.013 1.00 1.00 C ATOM 310 O VAL A 60 -2.023 -7.084 -40.097 1.00 1.00 O ATOM 311 CB VAL A 60 -3.966 -5.392 -37.879 1.00 1.00 C ATOM 312 CG1 VAL A 60 -4.428 -4.883 -39.236 1.00 1.00 C ATOM 313 CG2 VAL A 60 -5.148 -5.575 -36.939 1.00 1.00 C ATOM 0 H VAL A 60 -2.994 -6.633 -35.947 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.863 -7.477 -38.421 1.00 1.00 H new ATOM 0 HB VAL A 60 -3.298 -4.647 -37.447 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -4.975 -3.949 -39.107 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.561 -4.712 -39.875 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -5.080 -5.624 -39.700 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -5.685 -4.632 -36.842 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.818 -6.335 -37.341 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -4.788 -5.890 -35.959 1.00 1.00 H new ATOM 323 N ALA A 61 -1.082 -5.670 -38.623 1.00 1.00 N ATOM 324 CA ALA A 61 0.073 -5.386 -39.466 1.00 1.00 C ATOM 325 C ALA A 61 0.887 -6.649 -39.724 1.00 1.00 C ATOM 326 O ALA A 61 1.467 -6.816 -40.798 1.00 1.00 O ATOM 327 CB ALA A 61 0.944 -4.316 -38.824 1.00 1.00 C ATOM 0 H ALA A 61 -1.082 -5.179 -37.729 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.290 -5.016 -40.425 1.00 1.00 H new ATOM 0 HB1 ALA A 61 1.803 -4.114 -39.464 1.00 1.00 H new ATOM 0 HB2 ALA A 61 0.363 -3.402 -38.696 1.00 1.00 H new ATOM 0 HB3 ALA A 61 1.291 -4.664 -37.851 1.00 1.00 H new ATOM 333 N LEU A 62 0.928 -7.534 -38.735 1.00 1.00 N ATOM 334 CA LEU A 62 1.674 -8.782 -38.855 1.00 1.00 C ATOM 335 C LEU A 62 1.079 -9.669 -39.943 1.00 1.00 C ATOM 336 O LEU A 62 1.750 -10.008 -40.918 1.00 1.00 O ATOM 337 CB LEU A 62 1.678 -9.527 -37.519 1.00 1.00 C ATOM 338 CG LEU A 62 2.833 -9.200 -36.571 1.00 1.00 C ATOM 339 CD1 LEU A 62 2.550 -9.740 -35.178 1.00 1.00 C ATOM 340 CD2 LEU A 62 4.140 -9.763 -37.109 1.00 1.00 C ATOM 0 H LEU A 62 0.453 -7.411 -37.841 1.00 1.00 H new ATOM 0 HA LEU A 62 2.700 -8.538 -39.131 1.00 1.00 H new ATOM 0 HB2 LEU A 62 0.741 -9.314 -37.005 1.00 1.00 H new ATOM 0 HB3 LEU A 62 1.694 -10.598 -37.723 1.00 1.00 H new ATOM 0 HG LEU A 62 2.928 -8.116 -36.505 1.00 1.00 H new ATOM 0 HD11 LEU A 62 3.383 -9.498 -34.518 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.637 -9.288 -34.791 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.427 -10.822 -35.225 1.00 1.00 H new ATOM 0 HD21 LEU A 62 4.951 -9.521 -36.422 1.00 1.00 H new ATOM 0 HD22 LEU A 62 4.057 -10.846 -37.206 1.00 1.00 H new ATOM 0 HD23 LEU A 62 4.350 -9.326 -38.086 1.00 1.00 H new ATOM 352 N GLY A 63 -0.186 -10.042 -39.771 1.00 1.00 N ATOM 353 CA GLY A 63 -0.850 -10.886 -40.747 1.00 1.00 C ATOM 354 C GLY A 63 -0.745 -10.338 -42.156 1.00 1.00 C ATOM 355 O GLY A 63 -0.394 -11.063 -43.087 1.00 1.00 O ATOM 0 H GLY A 63 -0.762 -9.775 -38.973 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -0.414 -11.884 -40.716 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -1.901 -10.989 -40.478 1.00 1.00 H new ATOM 359 N ILE A 64 -1.052 -9.055 -42.314 1.00 1.00 N ATOM 360 CA ILE A 64 -0.993 -8.411 -43.620 1.00 1.00 C ATOM 361 C ILE A 64 0.440 -8.350 -44.138 1.00 1.00 C ATOM 362 O ILE A 64 0.696 -8.586 -45.318 1.00 1.00 O ATOM 363 CB ILE A 64 -1.570 -6.984 -43.571 1.00 1.00 C ATOM 364 CG1 ILE A 64 -3.023 -7.014 -43.091 1.00 1.00 C ATOM 365 CG2 ILE A 64 -1.472 -6.325 -44.939 1.00 1.00 C ATOM 366 CD1 ILE A 64 -3.600 -5.641 -42.826 1.00 1.00 C ATOM 0 H ILE A 64 -1.344 -8.441 -41.554 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.597 -9.015 -44.297 1.00 1.00 H new ATOM 0 HB ILE A 64 -0.985 -6.396 -42.864 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.634 -7.518 -43.840 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.084 -7.607 -42.178 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.884 -5.317 -44.888 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.427 -6.275 -45.245 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.035 -6.910 -45.666 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -4.632 -5.739 -42.489 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.013 -5.142 -42.055 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -3.572 -5.051 -43.742 1.00 1.00 H new ATOM 378 N GLY A 65 1.373 -8.032 -43.245 1.00 1.00 N ATOM 379 CA GLY A 65 2.770 -7.947 -43.631 1.00 1.00 C ATOM 380 C GLY A 65 3.319 -9.274 -44.115 1.00 1.00 C ATOM 381 O GLY A 65 3.926 -9.351 -45.184 1.00 1.00 O ATOM 0 H GLY A 65 1.187 -7.832 -42.262 1.00 1.00 H new ATOM 0 HA2 GLY A 65 2.881 -7.202 -44.419 1.00 1.00 H new ATOM 0 HA3 GLY A 65 3.358 -7.602 -42.781 1.00 1.00 H new ATOM 385 N LEU A 66 3.109 -10.322 -43.326 1.00 1.00 N ATOM 386 CA LEU A 66 3.587 -11.654 -43.681 1.00 1.00 C ATOM 387 C LEU A 66 2.912 -12.154 -44.954 1.00 1.00 C ATOM 388 O LEU A 66 3.497 -12.922 -45.719 1.00 1.00 O ATOM 389 CB LEU A 66 3.327 -12.633 -42.534 1.00 1.00 C ATOM 390 CG LEU A 66 4.197 -12.456 -41.289 1.00 1.00 C ATOM 391 CD1 LEU A 66 3.784 -13.437 -40.204 1.00 1.00 C ATOM 392 CD2 LEU A 66 5.668 -12.632 -41.638 1.00 1.00 C ATOM 0 H LEU A 66 2.611 -10.275 -42.437 1.00 1.00 H new ATOM 0 HA LEU A 66 4.660 -11.592 -43.862 1.00 1.00 H new ATOM 0 HB2 LEU A 66 2.282 -12.545 -42.238 1.00 1.00 H new ATOM 0 HB3 LEU A 66 3.467 -13.647 -42.909 1.00 1.00 H new ATOM 0 HG LEU A 66 4.052 -11.445 -40.909 1.00 1.00 H new ATOM 0 HD11 LEU A 66 4.415 -13.295 -39.326 1.00 1.00 H new ATOM 0 HD12 LEU A 66 2.742 -13.264 -39.934 1.00 1.00 H new ATOM 0 HD13 LEU A 66 3.899 -14.456 -40.572 1.00 1.00 H new ATOM 0 HD21 LEU A 66 6.273 -12.503 -40.740 1.00 1.00 H new ATOM 0 HD22 LEU A 66 5.829 -13.631 -42.043 1.00 1.00 H new ATOM 0 HD23 LEU A 66 5.957 -11.888 -42.381 1.00 1.00 H new ATOM 404 N PHE A 67 1.679 -11.713 -45.176 1.00 1.00 N ATOM 405 CA PHE A 67 0.925 -12.112 -46.359 1.00 1.00 C ATOM 406 C PHE A 67 1.459 -11.412 -47.605 1.00 1.00 C ATOM 407 O PHE A 67 1.655 -12.039 -48.646 1.00 1.00 O ATOM 408 CB PHE A 67 -0.560 -11.791 -46.176 1.00 1.00 C ATOM 409 CG PHE A 67 -1.464 -12.628 -47.035 1.00 1.00 C ATOM 410 CD1 PHE A 67 -1.633 -13.979 -46.776 1.00 1.00 C ATOM 411 CD2 PHE A 67 -2.145 -12.064 -48.102 1.00 1.00 C ATOM 412 CE1 PHE A 67 -2.464 -14.752 -47.564 1.00 1.00 C ATOM 413 CE2 PHE A 67 -2.978 -12.832 -48.893 1.00 1.00 C ATOM 414 CZ PHE A 67 -3.137 -14.178 -48.625 1.00 1.00 C ATOM 0 H PHE A 67 1.180 -11.079 -44.552 1.00 1.00 H new ATOM 0 HA PHE A 67 1.043 -13.188 -46.489 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -0.829 -11.937 -45.130 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -0.727 -10.738 -46.404 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -1.109 -14.433 -45.948 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -2.023 -11.013 -48.318 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -2.587 -15.804 -47.351 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -3.505 -12.380 -49.721 1.00 1.00 H new ATOM 0 HZ PHE A 67 -3.786 -14.780 -49.244 1.00 1.00 H new ATOM 424 N MET A 68 1.690 -10.108 -47.491 1.00 1.00 N ATOM 425 CA MET A 68 2.202 -9.323 -48.608 1.00 1.00 C ATOM 426 C MET A 68 3.665 -9.657 -48.883 1.00 1.00 C ATOM 427 O MET A 68 4.225 -9.243 -49.898 1.00 1.00 O ATOM 428 CB MET A 68 2.054 -7.828 -48.319 1.00 1.00 C ATOM 429 CG MET A 68 0.632 -7.414 -47.974 1.00 1.00 C ATOM 430 SD MET A 68 -0.335 -6.973 -49.431 1.00 1.00 S ATOM 431 CE MET A 68 -1.948 -7.600 -48.969 1.00 1.00 C ATOM 0 H MET A 68 1.531 -9.573 -46.637 1.00 1.00 H new ATOM 0 HA MET A 68 1.618 -9.574 -49.493 1.00 1.00 H new ATOM 0 HB2 MET A 68 2.713 -7.559 -47.493 1.00 1.00 H new ATOM 0 HB3 MET A 68 2.387 -7.263 -49.190 1.00 1.00 H new ATOM 0 HG2 MET A 68 0.137 -8.230 -47.448 1.00 1.00 H new ATOM 0 HG3 MET A 68 0.660 -6.565 -47.291 1.00 1.00 H new ATOM 0 HE1 MET A 68 -2.659 -7.402 -49.771 1.00 1.00 H new ATOM 0 HE2 MET A 68 -1.885 -8.674 -48.797 1.00 1.00 H new ATOM 0 HE3 MET A 68 -2.283 -7.105 -48.057 1.00 1.00 H new ATOM 441 N ARG A 69 4.277 -10.407 -47.973 1.00 1.00 N ATOM 442 CA ARG A 69 5.675 -10.795 -48.117 1.00 1.00 C ATOM 443 C ARG A 69 5.835 -11.860 -49.197 1.00 1.00 C ATOM 444 O ARG A 69 6.953 -12.218 -49.569 1.00 1.00 O ATOM 445 CB ARG A 69 6.221 -11.316 -46.786 1.00 1.00 C ATOM 446 CG ARG A 69 6.838 -10.235 -45.915 1.00 1.00 C ATOM 447 CD ARG A 69 8.112 -10.721 -45.242 1.00 1.00 C ATOM 448 NE ARG A 69 7.947 -12.047 -44.652 1.00 1.00 N ATOM 449 CZ ARG A 69 8.954 -12.766 -44.168 1.00 1.00 C ATOM 450 NH1 ARG A 69 10.191 -12.289 -44.203 1.00 1.00 N ATOM 451 NH2 ARG A 69 8.725 -13.965 -43.648 1.00 1.00 N ATOM 0 H ARG A 69 3.827 -10.758 -47.128 1.00 1.00 H new ATOM 0 HA ARG A 69 6.242 -9.913 -48.414 1.00 1.00 H new ATOM 0 HB2 ARG A 69 5.413 -11.797 -46.235 1.00 1.00 H new ATOM 0 HB3 ARG A 69 6.971 -12.082 -46.985 1.00 1.00 H new ATOM 0 HG2 ARG A 69 7.059 -9.358 -46.523 1.00 1.00 H new ATOM 0 HG3 ARG A 69 6.120 -9.924 -45.156 1.00 1.00 H new ATOM 0 HD2 ARG A 69 8.921 -10.747 -45.972 1.00 1.00 H new ATOM 0 HD3 ARG A 69 8.405 -10.013 -44.467 1.00 1.00 H new ATOM 0 HE ARG A 69 7.008 -12.442 -44.609 1.00 1.00 H new ATOM 0 HH11 ARG A 69 10.371 -11.368 -44.602 1.00 1.00 H new ATOM 0 HH12 ARG A 69 10.962 -12.843 -43.831 1.00 1.00 H new ATOM 0 HH21 ARG A 69 7.775 -14.336 -43.620 1.00 1.00 H new ATOM 0 HH22 ARG A 69 9.499 -14.516 -43.277 1.00 1.00 H new ATOM 465 N ARG A 70 4.711 -12.363 -49.697 1.00 1.00 N ATOM 466 CA ARG A 70 4.726 -13.389 -50.732 1.00 1.00 C ATOM 467 C ARG A 70 4.325 -12.804 -52.083 1.00 1.00 C ATOM 468 O ARG A 70 4.917 -13.131 -53.112 1.00 1.00 O ATOM 469 CB ARG A 70 3.783 -14.534 -50.359 1.00 1.00 C ATOM 470 CG ARG A 70 3.972 -15.041 -48.939 1.00 1.00 C ATOM 471 CD ARG A 70 5.290 -15.783 -48.784 1.00 1.00 C ATOM 472 NE ARG A 70 5.242 -17.116 -49.380 1.00 1.00 N ATOM 473 CZ ARG A 70 6.079 -18.096 -49.058 1.00 1.00 C ATOM 474 NH1 ARG A 70 7.023 -17.894 -48.149 1.00 1.00 N ATOM 475 NH2 ARG A 70 5.972 -19.281 -49.645 1.00 1.00 N ATOM 0 H ARG A 70 3.778 -12.076 -49.402 1.00 1.00 H new ATOM 0 HA ARG A 70 5.742 -13.776 -50.810 1.00 1.00 H new ATOM 0 HB2 ARG A 70 2.753 -14.200 -50.482 1.00 1.00 H new ATOM 0 HB3 ARG A 70 3.935 -15.360 -51.054 1.00 1.00 H new ATOM 0 HG2 ARG A 70 3.942 -14.201 -48.245 1.00 1.00 H new ATOM 0 HG3 ARG A 70 3.147 -15.703 -48.675 1.00 1.00 H new ATOM 0 HD2 ARG A 70 6.088 -15.206 -49.251 1.00 1.00 H new ATOM 0 HD3 ARG A 70 5.536 -15.868 -47.725 1.00 1.00 H new ATOM 0 HE ARG A 70 4.526 -17.305 -50.082 1.00 1.00 H new ATOM 0 HH11 ARG A 70 7.108 -16.984 -47.695 1.00 1.00 H new ATOM 0 HH12 ARG A 70 7.664 -18.648 -47.904 1.00 1.00 H new ATOM 0 HH21 ARG A 70 5.247 -19.440 -50.344 1.00 1.00 H new ATOM 0 HH22 ARG A 70 6.615 -20.033 -49.397 1.00 1.00 H new ATOM 489 N ARG A 71 3.316 -11.939 -52.072 1.00 1.00 N ATOM 490 CA ARG A 71 2.835 -11.311 -53.296 1.00 1.00 C ATOM 491 C ARG A 71 3.864 -10.327 -53.844 1.00 1.00 C ATOM 492 O ARG A 71 3.994 -10.158 -55.057 1.00 1.00 O ATOM 493 CB ARG A 71 1.510 -10.590 -53.038 1.00 1.00 C ATOM 494 CG ARG A 71 0.287 -11.465 -53.258 1.00 1.00 C ATOM 495 CD ARG A 71 0.107 -11.811 -54.727 1.00 1.00 C ATOM 496 NE ARG A 71 0.282 -13.239 -54.979 1.00 1.00 N ATOM 497 CZ ARG A 71 0.087 -13.805 -56.165 1.00 1.00 C ATOM 498 NH1 ARG A 71 -0.287 -13.069 -57.202 1.00 1.00 N ATOM 499 NH2 ARG A 71 0.267 -15.111 -56.315 1.00 1.00 N ATOM 0 H ARG A 71 2.816 -11.657 -51.229 1.00 1.00 H new ATOM 0 HA ARG A 71 2.676 -12.094 -54.038 1.00 1.00 H new ATOM 0 HB2 ARG A 71 1.501 -10.220 -52.013 1.00 1.00 H new ATOM 0 HB3 ARG A 71 1.446 -9.720 -53.692 1.00 1.00 H new ATOM 0 HG2 ARG A 71 0.385 -12.382 -52.676 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -0.601 -10.949 -52.893 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -0.887 -11.505 -55.052 1.00 1.00 H new ATOM 0 HD3 ARG A 71 0.825 -11.247 -55.323 1.00 1.00 H new ATOM 0 HE ARG A 71 0.570 -13.834 -54.202 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -0.426 -12.065 -57.091 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -0.436 -13.507 -58.111 1.00 1.00 H new ATOM 0 HH21 ARG A 71 0.555 -15.681 -55.520 1.00 1.00 H new ATOM 0 HH22 ARG A 71 0.117 -15.545 -57.226 1.00 1.00 H new ATOM 513 N HIS A 72 4.593 -9.678 -52.941 1.00 1.00 N ATOM 514 CA HIS A 72 5.611 -8.710 -53.333 1.00 1.00 C ATOM 515 C HIS A 72 6.842 -9.414 -53.895 1.00 1.00 C ATOM 516 O HIS A 72 7.689 -8.789 -54.535 1.00 1.00 O ATOM 517 CB HIS A 72 6.007 -7.841 -52.139 1.00 1.00 C ATOM 518 CG HIS A 72 5.182 -6.599 -52.002 1.00 1.00 C ATOM 519 ND1 HIS A 72 5.259 -5.760 -50.910 1.00 1.00 N ATOM 520 CD2 HIS A 72 4.260 -6.053 -52.830 1.00 1.00 C ATOM 521 CE1 HIS A 72 4.419 -4.753 -51.071 1.00 1.00 C ATOM 522 NE2 HIS A 72 3.800 -4.907 -52.228 1.00 1.00 N ATOM 0 H HIS A 72 4.498 -9.805 -51.933 1.00 1.00 H new ATOM 0 HA HIS A 72 5.190 -8.074 -54.112 1.00 1.00 H new ATOM 0 HB2 HIS A 72 5.917 -8.430 -51.226 1.00 1.00 H new ATOM 0 HB3 HIS A 72 7.056 -7.562 -52.236 1.00 1.00 H new ATOM 0 HD2 HIS A 72 3.945 -6.445 -53.786 1.00 1.00 H new ATOM 0 HE1 HIS A 72 4.265 -3.942 -50.375 1.00 1.00 H new ATOM 0 HE2 HIS A 72 3.095 -4.277 -52.612 1.00 1.00 H new ATOM 530 N ILE A 73 6.935 -10.717 -53.651 1.00 1.00 N ATOM 531 CA ILE A 73 8.064 -11.505 -54.131 1.00 1.00 C ATOM 532 C ILE A 73 8.186 -11.422 -55.649 1.00 1.00 C ATOM 533 O ILE A 73 9.265 -11.620 -56.208 1.00 1.00 O ATOM 534 CB ILE A 73 7.936 -12.983 -53.717 1.00 1.00 C ATOM 535 CG1 ILE A 73 7.884 -13.105 -52.193 1.00 1.00 C ATOM 536 CG2 ILE A 73 9.094 -13.793 -54.280 1.00 1.00 C ATOM 537 CD1 ILE A 73 9.074 -12.484 -51.496 1.00 1.00 C ATOM 0 H ILE A 73 6.243 -11.249 -53.124 1.00 1.00 H new ATOM 0 HA ILE A 73 8.960 -11.085 -53.673 1.00 1.00 H new ATOM 0 HB ILE A 73 7.008 -13.381 -54.126 1.00 1.00 H new ATOM 0 HG12 ILE A 73 6.972 -12.631 -51.830 1.00 1.00 H new ATOM 0 HG13 ILE A 73 7.824 -14.159 -51.923 1.00 1.00 H new ATOM 0 HG21 ILE A 73 8.989 -14.835 -53.979 1.00 1.00 H new ATOM 0 HG22 ILE A 73 9.089 -13.727 -55.368 1.00 1.00 H new ATOM 0 HG23 ILE A 73 10.035 -13.397 -53.897 1.00 1.00 H new ATOM 0 HD11 ILE A 73 8.970 -12.608 -50.418 1.00 1.00 H new ATOM 0 HD12 ILE A 73 9.988 -12.974 -51.831 1.00 1.00 H new ATOM 0 HD13 ILE A 73 9.123 -11.422 -51.736 1.00 1.00 H new ATOM 549 N VAL A 74 7.072 -11.128 -56.312 1.00 1.00 N ATOM 550 CA VAL A 74 7.053 -11.017 -57.765 1.00 1.00 C ATOM 551 C VAL A 74 7.858 -9.809 -58.234 1.00 1.00 C ATOM 552 O VAL A 74 8.089 -8.871 -57.472 1.00 1.00 O ATOM 553 CB VAL A 74 5.614 -10.900 -58.301 1.00 1.00 C ATOM 554 CG1 VAL A 74 5.591 -11.079 -59.812 1.00 1.00 C ATOM 555 CG2 VAL A 74 4.709 -11.917 -57.622 1.00 1.00 C ATOM 0 H VAL A 74 6.170 -10.962 -55.865 1.00 1.00 H new ATOM 0 HA VAL A 74 7.506 -11.927 -58.158 1.00 1.00 H new ATOM 0 HB VAL A 74 5.239 -9.903 -58.071 1.00 1.00 H new ATOM 0 HG11 VAL A 74 4.566 -10.993 -60.173 1.00 1.00 H new ATOM 0 HG12 VAL A 74 6.206 -10.310 -60.279 1.00 1.00 H new ATOM 0 HG13 VAL A 74 5.985 -12.063 -60.068 1.00 1.00 H new ATOM 0 HG21 VAL A 74 3.696 -11.820 -58.012 1.00 1.00 H new ATOM 0 HG22 VAL A 74 5.080 -12.923 -57.819 1.00 1.00 H new ATOM 0 HG23 VAL A 74 4.702 -11.737 -56.547 1.00 1.00 H new ATOM 565 N ARG A 75 8.282 -9.840 -59.493 1.00 1.00 N ATOM 566 CA ARG A 75 9.062 -8.749 -60.064 1.00 1.00 C ATOM 567 C ARG A 75 8.482 -7.397 -59.661 1.00 1.00 C ATOM 568 O ARG A 75 7.425 -6.993 -60.147 1.00 1.00 O ATOM 569 CB ARG A 75 9.102 -8.865 -61.589 1.00 1.00 C ATOM 570 CG ARG A 75 9.892 -10.064 -62.088 1.00 1.00 C ATOM 571 CD ARG A 75 11.390 -9.803 -62.041 1.00 1.00 C ATOM 572 NE ARG A 75 11.991 -10.287 -60.801 1.00 1.00 N ATOM 573 CZ ARG A 75 13.281 -10.156 -60.510 1.00 1.00 C ATOM 574 NH1 ARG A 75 14.100 -9.558 -61.365 1.00 1.00 N ATOM 575 NH2 ARG A 75 13.753 -10.623 -59.361 1.00 1.00 N ATOM 0 H ARG A 75 8.098 -10.609 -60.137 1.00 1.00 H new ATOM 0 HA ARG A 75 10.078 -8.820 -59.675 1.00 1.00 H new ATOM 0 HB2 ARG A 75 8.082 -8.930 -61.967 1.00 1.00 H new ATOM 0 HB3 ARG A 75 9.538 -7.956 -62.003 1.00 1.00 H new ATOM 0 HG2 ARG A 75 9.654 -10.937 -61.479 1.00 1.00 H new ATOM 0 HG3 ARG A 75 9.594 -10.298 -63.110 1.00 1.00 H new ATOM 0 HD2 ARG A 75 11.870 -10.290 -62.890 1.00 1.00 H new ATOM 0 HD3 ARG A 75 11.575 -8.733 -62.140 1.00 1.00 H new ATOM 0 HE ARG A 75 11.388 -10.751 -60.122 1.00 1.00 H new ATOM 0 HH11 ARG A 75 13.740 -9.197 -62.249 1.00 1.00 H new ATOM 0 HH12 ARG A 75 15.090 -9.459 -61.139 1.00 1.00 H new ATOM 0 HH21 ARG A 75 13.126 -11.083 -58.701 1.00 1.00 H new ATOM 0 HH22 ARG A 75 14.743 -10.522 -59.138 1.00 1.00 H new ATOM 589 N LYS A 76 9.179 -6.702 -58.769 1.00 1.00 N ATOM 590 CA LYS A 76 8.735 -5.394 -58.300 1.00 1.00 C ATOM 591 C LYS A 76 8.594 -4.418 -59.464 1.00 1.00 C ATOM 592 O LYS A 76 7.874 -3.424 -59.369 1.00 1.00 O ATOM 593 CB LYS A 76 9.720 -4.837 -57.270 1.00 1.00 C ATOM 594 CG LYS A 76 10.005 -5.792 -56.124 1.00 1.00 C ATOM 595 CD LYS A 76 8.893 -5.770 -55.089 1.00 1.00 C ATOM 596 CE LYS A 76 9.302 -6.493 -53.815 1.00 1.00 C ATOM 597 NZ LYS A 76 10.480 -5.853 -53.168 1.00 1.00 N ATOM 0 H LYS A 76 10.055 -7.023 -58.356 1.00 1.00 H new ATOM 0 HA LYS A 76 7.759 -5.516 -57.831 1.00 1.00 H new ATOM 0 HB2 LYS A 76 10.657 -4.593 -57.770 1.00 1.00 H new ATOM 0 HB3 LYS A 76 9.323 -3.906 -56.866 1.00 1.00 H new ATOM 0 HG2 LYS A 76 10.121 -6.804 -56.513 1.00 1.00 H new ATOM 0 HG3 LYS A 76 10.949 -5.522 -55.651 1.00 1.00 H new ATOM 0 HD2 LYS A 76 8.633 -4.738 -54.855 1.00 1.00 H new ATOM 0 HD3 LYS A 76 8.000 -6.238 -55.503 1.00 1.00 H new ATOM 0 HE2 LYS A 76 8.465 -6.501 -53.117 1.00 1.00 H new ATOM 0 HE3 LYS A 76 9.535 -7.532 -54.046 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 10.496 -6.096 -52.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 11.352 -6.194 -53.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 10.416 -4.820 -53.275 1.00 1.00 H new ATOM 611 N ARG A 77 9.284 -4.710 -60.562 1.00 1.00 N ATOM 612 CA ARG A 77 9.234 -3.859 -61.744 1.00 1.00 C ATOM 613 C ARG A 77 7.798 -3.690 -62.232 1.00 1.00 C ATOM 614 O ARG A 77 7.425 -2.636 -62.748 1.00 1.00 O ATOM 615 CB ARG A 77 10.097 -4.450 -62.861 1.00 1.00 C ATOM 616 CG ARG A 77 11.533 -3.951 -62.849 1.00 1.00 C ATOM 617 CD ARG A 77 12.155 -4.011 -64.235 1.00 1.00 C ATOM 618 NE ARG A 77 13.574 -4.350 -64.184 1.00 1.00 N ATOM 619 CZ ARG A 77 14.266 -4.779 -65.234 1.00 1.00 C ATOM 620 NH1 ARG A 77 13.671 -4.920 -66.411 1.00 1.00 N ATOM 621 NH2 ARG A 77 15.555 -5.068 -65.108 1.00 1.00 N ATOM 0 H ARG A 77 9.884 -5.529 -60.657 1.00 1.00 H new ATOM 0 HA ARG A 77 9.625 -2.879 -61.472 1.00 1.00 H new ATOM 0 HB2 ARG A 77 10.098 -5.536 -62.772 1.00 1.00 H new ATOM 0 HB3 ARG A 77 9.646 -4.209 -63.824 1.00 1.00 H new ATOM 0 HG2 ARG A 77 11.560 -2.925 -62.481 1.00 1.00 H new ATOM 0 HG3 ARG A 77 12.123 -4.553 -62.158 1.00 1.00 H new ATOM 0 HD2 ARG A 77 11.627 -4.750 -64.837 1.00 1.00 H new ATOM 0 HD3 ARG A 77 12.030 -3.048 -64.730 1.00 1.00 H new ATOM 0 HE ARG A 77 14.061 -4.252 -63.293 1.00 1.00 H new ATOM 0 HH11 ARG A 77 12.680 -4.699 -66.511 1.00 1.00 H new ATOM 0 HH12 ARG A 77 14.204 -5.249 -67.216 1.00 1.00 H new ATOM 0 HH21 ARG A 77 16.016 -4.961 -64.204 1.00 1.00 H new ATOM 0 HH22 ARG A 77 16.085 -5.397 -65.915 1.00 1.00 H new ATOM 635 N THR A 78 6.995 -4.737 -62.066 1.00 1.00 N ATOM 636 CA THR A 78 5.601 -4.706 -62.490 1.00 1.00 C ATOM 637 C THR A 78 4.882 -3.486 -61.926 1.00 1.00 C ATOM 638 O THR A 78 3.967 -2.948 -62.550 1.00 1.00 O ATOM 639 CB THR A 78 4.852 -5.978 -62.051 1.00 1.00 C ATOM 640 OG1 THR A 78 3.550 -6.010 -62.646 1.00 1.00 O ATOM 641 CG2 THR A 78 4.724 -6.035 -60.536 1.00 1.00 C ATOM 0 H THR A 78 7.287 -5.617 -61.641 1.00 1.00 H new ATOM 0 HA THR A 78 5.603 -4.652 -63.579 1.00 1.00 H new ATOM 0 HB THR A 78 5.425 -6.843 -62.384 1.00 1.00 H new ATOM 0 HG1 THR A 78 3.081 -6.823 -62.363 1.00 1.00 H new ATOM 0 HG21 THR A 78 4.192 -6.942 -60.250 1.00 1.00 H new ATOM 0 HG22 THR A 78 5.717 -6.040 -60.087 1.00 1.00 H new ATOM 0 HG23 THR A 78 4.171 -5.164 -60.185 1.00 1.00 H new ATOM 649 N LEU A 79 5.301 -3.053 -60.742 1.00 1.00 N ATOM 650 CA LEU A 79 4.697 -1.895 -60.093 1.00 1.00 C ATOM 651 C LEU A 79 5.109 -0.603 -60.791 1.00 1.00 C ATOM 652 O LEU A 79 4.326 0.343 -60.881 1.00 1.00 O ATOM 653 CB LEU A 79 5.101 -1.843 -58.618 1.00 1.00 C ATOM 654 CG LEU A 79 4.208 -2.620 -57.650 1.00 1.00 C ATOM 655 CD1 LEU A 79 2.849 -1.949 -57.522 1.00 1.00 C ATOM 656 CD2 LEU A 79 4.052 -4.062 -58.109 1.00 1.00 C ATOM 0 H LEU A 79 6.057 -3.487 -60.212 1.00 1.00 H new ATOM 0 HA LEU A 79 3.614 -1.994 -60.163 1.00 1.00 H new ATOM 0 HB2 LEU A 79 6.118 -2.223 -58.527 1.00 1.00 H new ATOM 0 HB3 LEU A 79 5.121 -0.799 -58.304 1.00 1.00 H new ATOM 0 HG LEU A 79 4.683 -2.622 -56.669 1.00 1.00 H new ATOM 0 HD11 LEU A 79 2.227 -2.516 -56.829 1.00 1.00 H new ATOM 0 HD12 LEU A 79 2.978 -0.934 -57.146 1.00 1.00 H new ATOM 0 HD13 LEU A 79 2.366 -1.916 -58.499 1.00 1.00 H new ATOM 0 HD21 LEU A 79 3.413 -4.600 -57.408 1.00 1.00 H new ATOM 0 HD22 LEU A 79 3.600 -4.081 -59.100 1.00 1.00 H new ATOM 0 HD23 LEU A 79 5.031 -4.539 -58.148 1.00 1.00 H new ATOM 668 N ARG A 80 6.343 -0.571 -61.285 1.00 1.00 N ATOM 669 CA ARG A 80 6.858 0.604 -61.977 1.00 1.00 C ATOM 670 C ARG A 80 6.157 0.796 -63.319 1.00 1.00 C ATOM 671 O ARG A 80 5.824 1.918 -63.701 1.00 1.00 O ATOM 672 CB ARG A 80 8.367 0.474 -62.192 1.00 1.00 C ATOM 673 CG ARG A 80 9.196 1.005 -61.034 1.00 1.00 C ATOM 674 CD ARG A 80 9.320 2.519 -61.086 1.00 1.00 C ATOM 675 NE ARG A 80 10.369 3.013 -60.198 1.00 1.00 N ATOM 676 CZ ARG A 80 10.232 3.108 -58.880 1.00 1.00 C ATOM 677 NH1 ARG A 80 9.096 2.744 -58.300 1.00 1.00 N ATOM 678 NH2 ARG A 80 11.232 3.567 -58.138 1.00 1.00 N ATOM 0 H ARG A 80 7.004 -1.345 -61.219 1.00 1.00 H new ATOM 0 HA ARG A 80 6.660 1.477 -61.355 1.00 1.00 H new ATOM 0 HB2 ARG A 80 8.613 -0.576 -62.353 1.00 1.00 H new ATOM 0 HB3 ARG A 80 8.643 1.009 -63.101 1.00 1.00 H new ATOM 0 HG2 ARG A 80 8.737 0.709 -60.091 1.00 1.00 H new ATOM 0 HG3 ARG A 80 10.189 0.556 -61.060 1.00 1.00 H new ATOM 0 HD2 ARG A 80 9.534 2.830 -62.108 1.00 1.00 H new ATOM 0 HD3 ARG A 80 8.368 2.970 -60.808 1.00 1.00 H new ATOM 0 HE ARG A 80 11.255 3.301 -60.612 1.00 1.00 H new ATOM 0 HH11 ARG A 80 8.325 2.390 -58.866 1.00 1.00 H new ATOM 0 HH12 ARG A 80 8.994 2.818 -57.288 1.00 1.00 H new ATOM 0 HH21 ARG A 80 12.108 3.848 -58.580 1.00 1.00 H new ATOM 0 HH22 ARG A 80 11.125 3.639 -57.126 1.00 1.00 H new ATOM 692 N ARG A 81 5.937 -0.306 -64.028 1.00 1.00 N ATOM 693 CA ARG A 81 5.276 -0.258 -65.327 1.00 1.00 C ATOM 694 C ARG A 81 3.779 -0.013 -65.167 1.00 1.00 C ATOM 695 O ARG A 81 3.199 0.826 -65.857 1.00 1.00 O ATOM 696 CB ARG A 81 5.511 -1.563 -66.090 1.00 1.00 C ATOM 697 CG ARG A 81 6.934 -1.723 -66.600 1.00 1.00 C ATOM 698 CD ARG A 81 7.252 -0.714 -67.692 1.00 1.00 C ATOM 699 NE ARG A 81 8.213 -1.237 -68.658 1.00 1.00 N ATOM 700 CZ ARG A 81 8.526 -0.620 -69.792 1.00 1.00 C ATOM 701 NH1 ARG A 81 7.956 0.537 -70.100 1.00 1.00 N ATOM 702 NH2 ARG A 81 9.411 -1.160 -70.621 1.00 1.00 N ATOM 0 H ARG A 81 6.206 -1.242 -63.726 1.00 1.00 H new ATOM 0 HA ARG A 81 5.703 0.569 -65.894 1.00 1.00 H new ATOM 0 HB2 ARG A 81 5.271 -2.403 -65.438 1.00 1.00 H new ATOM 0 HB3 ARG A 81 4.824 -1.609 -66.935 1.00 1.00 H new ATOM 0 HG2 ARG A 81 7.634 -1.599 -65.774 1.00 1.00 H new ATOM 0 HG3 ARG A 81 7.072 -2.733 -66.985 1.00 1.00 H new ATOM 0 HD2 ARG A 81 6.333 -0.437 -68.209 1.00 1.00 H new ATOM 0 HD3 ARG A 81 7.650 0.195 -67.241 1.00 1.00 H new ATOM 0 HE ARG A 81 8.669 -2.125 -68.451 1.00 1.00 H new ATOM 0 HH11 ARG A 81 7.276 0.955 -69.466 1.00 1.00 H new ATOM 0 HH12 ARG A 81 8.198 1.009 -70.971 1.00 1.00 H new ATOM 0 HH21 ARG A 81 9.852 -2.050 -70.388 1.00 1.00 H new ATOM 0 HH22 ARG A 81 9.650 -0.685 -71.491 1.00 1.00 H new ATOM 716 N LEU A 82 3.158 -0.750 -64.252 1.00 1.00 N ATOM 717 CA LEU A 82 1.728 -0.614 -64.002 1.00 1.00 C ATOM 718 C LEU A 82 1.390 0.795 -63.525 1.00 1.00 C ATOM 719 O LEU A 82 0.348 1.348 -63.878 1.00 1.00 O ATOM 720 CB LEU A 82 1.272 -1.640 -62.962 1.00 1.00 C ATOM 721 CG LEU A 82 1.209 -3.092 -63.435 1.00 1.00 C ATOM 722 CD1 LEU A 82 1.180 -4.040 -62.246 1.00 1.00 C ATOM 723 CD2 LEU A 82 -0.005 -3.312 -64.325 1.00 1.00 C ATOM 0 H LEU A 82 3.623 -1.448 -63.671 1.00 1.00 H new ATOM 0 HA LEU A 82 1.202 -0.797 -64.939 1.00 1.00 H new ATOM 0 HB2 LEU A 82 1.947 -1.586 -62.108 1.00 1.00 H new ATOM 0 HB3 LEU A 82 0.283 -1.352 -62.606 1.00 1.00 H new ATOM 0 HG LEU A 82 2.105 -3.302 -64.019 1.00 1.00 H new ATOM 0 HD11 LEU A 82 1.135 -5.069 -62.602 1.00 1.00 H new ATOM 0 HD12 LEU A 82 2.081 -3.902 -61.648 1.00 1.00 H new ATOM 0 HD13 LEU A 82 0.303 -3.829 -61.634 1.00 1.00 H new ATOM 0 HD21 LEU A 82 -0.033 -4.351 -64.652 1.00 1.00 H new ATOM 0 HD22 LEU A 82 -0.912 -3.083 -63.766 1.00 1.00 H new ATOM 0 HD23 LEU A 82 0.059 -2.659 -65.196 1.00 1.00 H new ATOM 735 N LEU A 83 2.278 1.371 -62.723 1.00 1.00 N ATOM 736 CA LEU A 83 2.075 2.717 -62.197 1.00 1.00 C ATOM 737 C LEU A 83 2.145 3.753 -63.314 1.00 1.00 C ATOM 738 O LEU A 83 1.392 4.727 -63.317 1.00 1.00 O ATOM 739 CB LEU A 83 3.122 3.031 -61.128 1.00 1.00 C ATOM 740 CG LEU A 83 2.799 2.554 -59.711 1.00 1.00 C ATOM 741 CD1 LEU A 83 4.059 2.516 -58.861 1.00 1.00 C ATOM 742 CD2 LEU A 83 1.749 3.450 -59.073 1.00 1.00 C ATOM 0 H LEU A 83 3.146 0.927 -62.422 1.00 1.00 H new ATOM 0 HA LEU A 83 1.083 2.760 -61.748 1.00 1.00 H new ATOM 0 HB2 LEU A 83 4.069 2.585 -61.433 1.00 1.00 H new ATOM 0 HB3 LEU A 83 3.272 4.110 -61.101 1.00 1.00 H new ATOM 0 HG LEU A 83 2.396 1.543 -59.771 1.00 1.00 H new ATOM 0 HD11 LEU A 83 3.810 2.174 -57.856 1.00 1.00 H new ATOM 0 HD12 LEU A 83 4.779 1.832 -59.309 1.00 1.00 H new ATOM 0 HD13 LEU A 83 4.492 3.515 -58.808 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.532 3.095 -58.065 1.00 1.00 H new ATOM 0 HD22 LEU A 83 2.124 4.472 -59.025 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.838 3.425 -59.671 1.00 1.00 H new ATOM 754 N GLN A 84 3.051 3.536 -64.261 1.00 1.00 N ATOM 755 CA GLN A 84 3.217 4.450 -65.384 1.00 1.00 C ATOM 756 C GLN A 84 1.892 4.670 -66.107 1.00 1.00 C ATOM 757 O GLN A 84 1.579 5.785 -66.522 1.00 1.00 O ATOM 758 CB GLN A 84 4.261 3.908 -66.362 1.00 1.00 C ATOM 759 CG GLN A 84 5.682 4.340 -66.036 1.00 1.00 C ATOM 760 CD GLN A 84 6.679 3.913 -67.095 1.00 1.00 C ATOM 761 OE1 GLN A 84 6.697 4.455 -68.201 1.00 1.00 O ATOM 762 NE2 GLN A 84 7.515 2.937 -66.763 1.00 1.00 N ATOM 0 H GLN A 84 3.682 2.735 -64.273 1.00 1.00 H new ATOM 0 HA GLN A 84 3.560 5.407 -64.992 1.00 1.00 H new ATOM 0 HB2 GLN A 84 4.213 2.819 -66.365 1.00 1.00 H new ATOM 0 HB3 GLN A 84 4.011 4.241 -67.369 1.00 1.00 H new ATOM 0 HG2 GLN A 84 5.713 5.424 -65.930 1.00 1.00 H new ATOM 0 HG3 GLN A 84 5.975 3.917 -65.075 1.00 1.00 H new ATOM 0 HE21 GLN A 84 7.465 2.516 -65.835 1.00 1.00 H new ATOM 0 HE22 GLN A 84 8.208 2.608 -67.436 1.00 1.00 H new ATOM 771 N GLU A 85 1.119 3.599 -66.254 1.00 1.00 N ATOM 772 CA GLU A 85 -0.171 3.676 -66.929 1.00 1.00 C ATOM 773 C GLU A 85 -1.232 4.273 -66.008 1.00 1.00 C ATOM 774 O GLU A 85 -2.024 5.119 -66.424 1.00 1.00 O ATOM 775 CB GLU A 85 -0.610 2.287 -67.398 1.00 1.00 C ATOM 776 CG GLU A 85 -0.152 1.947 -68.806 1.00 1.00 C ATOM 777 CD GLU A 85 1.247 1.361 -68.838 1.00 1.00 C ATOM 778 OE1 GLU A 85 1.428 0.231 -68.337 1.00 1.00 O ATOM 779 OE2 GLU A 85 2.159 2.032 -69.364 1.00 1.00 O ATOM 0 H GLU A 85 1.363 2.668 -65.915 1.00 1.00 H new ATOM 0 HA GLU A 85 -0.060 4.326 -67.797 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -0.219 1.539 -66.708 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -1.697 2.225 -67.354 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -0.850 1.237 -69.250 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -0.179 2.847 -69.420 1.00 1.00 H new ATOM 786 N ARG A 86 -1.240 3.826 -64.757 1.00 1.00 N ATOM 787 CA ARG A 86 -2.205 4.313 -63.778 1.00 1.00 C ATOM 788 C ARG A 86 -2.129 5.831 -63.649 1.00 1.00 C ATOM 789 O ARG A 86 -3.140 6.524 -63.762 1.00 1.00 O ATOM 790 CB ARG A 86 -1.955 3.661 -62.417 1.00 1.00 C ATOM 791 CG ARG A 86 -2.721 2.364 -62.213 1.00 1.00 C ATOM 792 CD ARG A 86 -4.131 2.623 -61.708 1.00 1.00 C ATOM 793 NE ARG A 86 -4.134 3.262 -60.394 1.00 1.00 N ATOM 794 CZ ARG A 86 -5.232 3.458 -59.674 1.00 1.00 C ATOM 795 NH1 ARG A 86 -6.411 3.066 -60.137 1.00 1.00 N ATOM 796 NH2 ARG A 86 -5.153 4.047 -58.488 1.00 1.00 N ATOM 0 H ARG A 86 -0.590 3.128 -64.397 1.00 1.00 H new ATOM 0 HA ARG A 86 -3.203 4.045 -64.124 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -0.888 3.464 -62.308 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -2.231 4.364 -61.631 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -2.765 1.815 -63.153 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -2.188 1.734 -61.501 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -4.660 3.256 -62.420 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -4.675 1.680 -61.654 1.00 1.00 H new ATOM 0 HE ARG A 86 -3.243 3.575 -60.008 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -6.476 2.613 -61.048 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -7.253 3.218 -59.582 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -4.248 4.350 -58.128 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -5.997 4.197 -57.936 1.00 1.00 H new ATOM 810 N GLU A 87 -0.925 6.340 -63.410 1.00 1.00 N ATOM 811 CA GLU A 87 -0.718 7.776 -63.265 1.00 1.00 C ATOM 812 C GLU A 87 -0.762 8.473 -64.622 1.00 1.00 C ATOM 813 O GLU A 87 -0.924 7.828 -65.659 1.00 1.00 O ATOM 814 CB GLU A 87 0.621 8.055 -62.579 1.00 1.00 C ATOM 815 CG GLU A 87 0.666 7.609 -61.127 1.00 1.00 C ATOM 816 CD GLU A 87 -0.289 8.392 -60.247 1.00 1.00 C ATOM 817 OE1 GLU A 87 -1.501 8.092 -60.273 1.00 1.00 O ATOM 818 OE2 GLU A 87 0.176 9.304 -59.532 1.00 1.00 O ATOM 0 H GLU A 87 -0.078 5.780 -63.313 1.00 1.00 H new ATOM 0 HA GLU A 87 -1.524 8.172 -62.647 1.00 1.00 H new ATOM 0 HB2 GLU A 87 1.414 7.550 -63.130 1.00 1.00 H new ATOM 0 HB3 GLU A 87 0.829 9.124 -62.629 1.00 1.00 H new ATOM 0 HG2 GLU A 87 0.421 6.548 -61.069 1.00 1.00 H new ATOM 0 HG3 GLU A 87 1.681 7.723 -60.747 1.00 1.00 H new ATOM 825 N LEU A 88 -0.616 9.793 -64.608 1.00 1.00 N ATOM 826 CA LEU A 88 -0.640 10.579 -65.836 1.00 1.00 C ATOM 827 C LEU A 88 0.725 11.201 -66.111 1.00 1.00 C ATOM 828 O LEU A 88 1.370 10.893 -67.114 1.00 1.00 O ATOM 829 CB LEU A 88 -1.703 11.675 -65.744 1.00 1.00 C ATOM 830 CG LEU A 88 -3.157 11.203 -65.772 1.00 1.00 C ATOM 831 CD1 LEU A 88 -4.083 12.296 -65.262 1.00 1.00 C ATOM 832 CD2 LEU A 88 -3.554 10.779 -67.179 1.00 1.00 C ATOM 0 H LEU A 88 -0.480 10.342 -63.759 1.00 1.00 H new ATOM 0 HA LEU A 88 -0.887 9.910 -66.661 1.00 1.00 H new ATOM 0 HB2 LEU A 88 -1.541 12.234 -64.822 1.00 1.00 H new ATOM 0 HB3 LEU A 88 -1.552 12.370 -66.570 1.00 1.00 H new ATOM 0 HG LEU A 88 -3.251 10.339 -65.114 1.00 1.00 H new ATOM 0 HD11 LEU A 88 -5.114 11.942 -65.289 1.00 1.00 H new ATOM 0 HD12 LEU A 88 -3.814 12.552 -64.237 1.00 1.00 H new ATOM 0 HD13 LEU A 88 -3.986 13.179 -65.894 1.00 1.00 H new ATOM 0 HD21 LEU A 88 -4.592 10.446 -67.179 1.00 1.00 H new ATOM 0 HD22 LEU A 88 -3.444 11.624 -67.858 1.00 1.00 H new ATOM 0 HD23 LEU A 88 -2.911 9.963 -67.508 1.00 1.00 H new ATOM 844 N VAL A 89 1.162 12.078 -65.213 1.00 1.00 N ATOM 845 CA VAL A 89 2.453 12.740 -65.355 1.00 1.00 C ATOM 846 C VAL A 89 3.172 12.836 -64.014 1.00 1.00 C ATOM 847 O VAL A 89 2.789 13.623 -63.149 1.00 1.00 O ATOM 848 CB VAL A 89 2.298 14.154 -65.944 1.00 1.00 C ATOM 849 CG1 VAL A 89 3.655 14.825 -66.089 1.00 1.00 C ATOM 850 CG2 VAL A 89 1.576 14.097 -67.282 1.00 1.00 C ATOM 0 H VAL A 89 0.640 12.347 -64.379 1.00 1.00 H new ATOM 0 HA VAL A 89 3.046 12.133 -66.039 1.00 1.00 H new ATOM 0 HB VAL A 89 1.697 14.751 -65.258 1.00 1.00 H new ATOM 0 HG11 VAL A 89 3.525 15.823 -66.507 1.00 1.00 H new ATOM 0 HG12 VAL A 89 4.130 14.900 -65.111 1.00 1.00 H new ATOM 0 HG13 VAL A 89 4.284 14.233 -66.753 1.00 1.00 H new ATOM 0 HG21 VAL A 89 1.475 15.105 -67.684 1.00 1.00 H new ATOM 0 HG22 VAL A 89 2.148 13.484 -67.978 1.00 1.00 H new ATOM 0 HG23 VAL A 89 0.587 13.661 -67.143 1.00 1.00 H new ATOM 860 N GLU A 90 4.216 12.030 -63.849 1.00 1.00 N ATOM 861 CA GLU A 90 4.988 12.024 -62.612 1.00 1.00 C ATOM 862 C GLU A 90 6.086 13.083 -62.651 1.00 1.00 C ATOM 863 O GLU A 90 6.605 13.416 -63.715 1.00 1.00 O ATOM 864 CB GLU A 90 5.604 10.643 -62.375 1.00 1.00 C ATOM 865 CG GLU A 90 6.004 10.395 -60.931 1.00 1.00 C ATOM 866 CD GLU A 90 4.809 10.175 -60.024 1.00 1.00 C ATOM 867 OE1 GLU A 90 3.667 10.219 -60.527 1.00 1.00 O ATOM 868 OE2 GLU A 90 5.015 9.959 -58.811 1.00 1.00 O ATOM 0 H GLU A 90 4.546 11.373 -64.556 1.00 1.00 H new ATOM 0 HA GLU A 90 4.311 12.257 -61.790 1.00 1.00 H new ATOM 0 HB2 GLU A 90 4.890 9.879 -62.682 1.00 1.00 H new ATOM 0 HB3 GLU A 90 6.482 10.532 -63.011 1.00 1.00 H new ATOM 0 HG2 GLU A 90 6.657 9.523 -60.883 1.00 1.00 H new ATOM 0 HG3 GLU A 90 6.580 11.245 -60.566 1.00 1.00 H new ATOM 875 N GLY A 91 6.435 13.609 -61.480 1.00 1.00 N ATOM 876 CA GLY A 91 7.468 14.625 -61.402 1.00 1.00 C ATOM 877 C GLY A 91 7.164 15.682 -60.360 1.00 1.00 C ATOM 878 O GLY A 91 6.567 16.713 -60.667 1.00 1.00 O ATOM 0 H GLY A 91 6.021 13.349 -60.585 1.00 1.00 H new ATOM 0 HA2 GLY A 91 8.422 14.152 -61.168 1.00 1.00 H new ATOM 0 HA3 GLY A 91 7.579 15.101 -62.376 1.00 1.00 H new ATOM 882 N GLY A 92 7.574 15.426 -59.121 1.00 1.00 N ATOM 883 CA GLY A 92 7.332 16.373 -58.049 1.00 1.00 C ATOM 884 C GLY A 92 8.609 17.003 -57.530 1.00 1.00 C ATOM 885 O GLY A 92 9.640 16.973 -58.202 1.00 1.00 O ATOM 0 H GLY A 92 8.069 14.579 -58.841 1.00 1.00 H new ATOM 0 HA2 GLY A 92 6.663 17.157 -58.405 1.00 1.00 H new ATOM 0 HA3 GLY A 92 6.822 15.866 -57.230 1.00 1.00 H new TER 889 GLY A 92